[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)CO

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C21H24O4/c1-14(25-20(24)17-7-5-15(13-22)6-8-17)19(23)16-9-11-18(12-10-16)21(2,3)4/h5-12,14,22H,13H2,1-4H3/t14-/m0/s1